7-Fluoro-5-Phenyl-1,3-Dihydro-1,4-Benzodiazepin-2-One

CAS: 2648-00-2

Ref. 3D-FF93357

Produktinformation

• Name: 7-Fluoro-5-Phenyl-1,3-Dihydro-1,4-Benzodiazepin-2-One
• Marke: Biosynth
• Beschreibung: 7-Fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is a potential drug candidate that has been found to have high affinity for the benzodiazepine receptor. It was synthesized by reacting 7-fluoro-5-(chloromethyl)benzo[b]thiophene with 2,5-dimethoxybenzaldehyde in the presence of sodium hydroxide and acetic acid. The compound was characterized using techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS) and infrared spectroscopy (IR). The affinity of 7FDBZ was measured at 4 nM. The parameters used for predicting binding affinity were hydrophobicity and hydrogen bond acceptor properties. A predictive model was generated based on these parameters that shows good agreement with experimental data. The probe is hydrophobic in nature and may bind to the receptor due to

Chemische Eigenschaften

• Molekulargewicht: 254.26 g/mol
• Formel: C₁₅H₁₁FN₂O
• Reinheit: Min. 95%
• InChl: InChI=1S/C15H11FN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
• InChI Key: InChIKey=BHRKXOYRRFPATI-UHFFFAOYSA-N
• SMILES: O=C1CN=C(c2ccccc2)c2cc(F)ccc2N1